5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one

C13H16N2O3 — CID 122698087

IUPAC5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCCO[C@@H](CN)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C13H16N2O3/c1-2-18-11(7-14)8-3-5-10(16)13-9(8)4-6-12(17)15-13/h3-6,11,16H,2,7,14H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyIGGFXZMEVDWMDF-NSHDSACASA-N
MW248.28 g/mol
LogP1.27
Rot. Bonds4

About 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 122698087) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID122698087
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCCO[C@@H](CN)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C13H16N2O3/c1-2-18-11(7-14)8-3-5-10(16)13-9(8)4-6-12(17)15-13/h3-6,11,16H,2,7,14H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyIGGFXZMEVDWMDF-NSHDSACASA-N
XLogP1.27
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one
CID 90805801
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
[(1R,2S)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylazanium
CID 6921794
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 688561
5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one
CID 15590476
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
bis(8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
CID 66958037
8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one
CID 70668370
tert-butyl N-(3-aminopropyl)-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate
CID 154636752

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 122698087) is 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one is CCO[C@@H](CN)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is IGGFXZMEVDWMDF-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-18-11(7-14)8-3-5-10(16)13-9(8)4-6-12(17)15-13/h3-6,11,16H,2,7,14H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one?
5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 122698087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).